An investigation into the molecular stability of zinc di-alkyl-di-thiophosphates (ZDDPs) in relation to their use as anti-wear and anticorrosion additives in lubricating oils

被引：32

作者：

Armstrong, DR

Ferrari, ES

Roberts, KJ

Adams, D

机构：

[1] HERIOT WATT UNIV,CTR MOL & INTERFACE ENGN,DEPT MECH & CHEM ENGN,EDINBURGH EH14 4AS,MIDLOTHIAN,SCOTLAND

[2] UNIV STRATHCLYDE,DEPT PURE & APPL CHEM,GLASGOW G1 1XL,LANARK,SCOTLAND

[3] SERC,DARESBURY LAB,CCLRC,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND

[4] PARAMINS EXXON CHEM LTD,ABINGDON OX13 6BB,OXON,ENGLAND

来源：

WEAR | 1997年 / 208卷 / 1-2期

基金：

英国工程与自然科学研究理事会;

关键词：

molecular modelling; quantum chemistry; anti-corrosion/wear additive; zinc di-alkyl-di-thiophosphates;

D O I：

10.1016/S0043-1648(96)07332-2

中图分类号：

TH [机械、仪表工业];

学科分类号：

0802 ;

摘要：

The electronic energies and structures of the monomeric, neutral and basic forms of the important lubricating oil additive zinc di-alkyl-dithiophosphate (ZDDP) are examined by molecular optimisation techniques using semi-empirical quantum chemistry calculations (MNDO). The optimised geometries reveal good agreement with known crystallographic data. The molecular stability is found to be highest for the basic form of ZDDP. For all forms, the variation of the chain length of the alkyl groups does not significantly change the overall molecular structure. (C) 1997 Elsevier Science S.A.

引用

页码：138 / 146

页数：9

共 12 条

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[Anonymous], COMMUNICATION

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